SCHEMBL3269926

SCHEMBL3269926

CC(C)Oc1ccc2ccccc2c1-c1c(OC(C)C)c(C=O)cc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ERN1 O75460 3/20 0.43
IRAK4 Q9NWZ3 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
BTK Q06187 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCL1 Q07820 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3274765 0.87 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19ERN1
SCHEMBL29428372 0.80 MAPT (0.61) MAPTCYP1A2CYP2C9CYP2C19ERN1
SCHEMBL3274613 0.80 MAPT (0.62) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL11763980 0.76 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19ERN1
SCHEMBL29794204 0.75 ERN1 (0.44) MAPTCYP1A2CYP2C9CYP2C19ERN1
SCHEMBL12588892 0.75 ERN1 (0.44) MAPTCYP1A2CYP2C9CYP2C19ERN1
SCHEMBL29618406 0.75 ERN1 (0.44) MAPTCYP1A2CYP2C9CYP2C19ERN1
SCHEMBL29428386 0.74 ERN1 (0.67) MAPTCYP1A2CYP2C9CYP2C19ERN1
SCHEMBL16241795 0.73 MAPT (0.54) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL3267842 0.73 MAPT (1.00) MAPTCYP1A2CYP2C9CYP2C19ERN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414833-B1 NOVEL TRANSITION-METAL COMPLEXES AND USE THEREOF IN TRANSITION-METAL CATALYSED REACTIONS SALTIGO GMBH (DE) 2010-06-16 EP disclosed
US-20040176608-A1 Novel transition-metal complexes and use thereof in transition-metal catalyzed reactions BAYER CHEMICALS AG (DE) 2004-09-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040176608-A1 Novel transition-metal complexes and use thereof in transition-metal catalyzed reactions AP1M1, SOD1, INTS9 MAPT 2516/4885CYP1A2 133/4885CYP2C9 162/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.